Cell Reactant:
Reverse transcriptase (HIV-1 RT)(1-350)
Syringe Reactant:
BDBM50103642
Meas. Tech.:
Enzyme Inhibition
Entry Date.:
06/16/17
ΔG°:
-154±44.8 (kJ/mole)
Temperature:
298.15±0 (K)
ΔH° :
-250±n/a (kJ/mole)
ΔS° :
-0.323±0.145 (kJ/mole-K)
Citation
 Decha, PIntharathep, PUdommaneethanakit, TSompornpisut, PHannongbua, SWolschann, PParasuk, V Theoretical studies on the molecular basis of HIV-1RT/NNRTIs interactions. J Enzyme Inhib Med Chem 26:29-36 (2011) [PubMed]  Article
Cell React
Name:
Reverse transcriptase (HIV-1 RT)(aa 1-350)
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
39217.95
Organism:
Human immunodeficiency virus type 1
Description:
HIV-1 RT variant (1-350 aa)
Residue:
350
Sequence:
MGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPGLLETSEGCRQILGQLQPSLQTGSEELRSLYNTVATLYCVHQRIEIKDTKEALDKIEEEQNKSKKKAQQAAADTGHSNQVSQNYPIVQNIQGQMVHQAISPRTLNAWVKVVEEKAFSPEVIPMFSALSEGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRVHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTNNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNWMTETLLVQNANPDCKTILKALGPAATLEEMMTAC
  
Syringe React
Name:
BDBM50103642
Synonyms:
4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin-4-ylamino)-3,5-dimethylbenzonitrile | 4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE | 4-[6-amino-5-bromo-2-(4-cyano-phenylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile | CHEMBL308954 | ETRAVIRINE | Etravirine (ETR) | Etravirine (ETV) | Etravirine (TMC125) | TMC 125 | TMC-125
Type:
Small organic molecule
Emp. Form.:
C20H15BrN6O
Mol. Mass.:
435.277
SMILES:
Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Structure:
Search PDB for entries with ligand similarity: